5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde

C16H16O4S — CID 86667592

IUPAC5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde
SMILESCOc1cc(OC)c(C=Cc2ccc(C=O)s2)c(OC)c1
InChIInChI=1S/C16H16O4S/c1-18-11-8-15(19-2)14(16(9-11)20-3)7-6-12-4-5-13(10-17)21-12/h4-10H,1-3H3
InChIKeyOMUARTWUDVRUGO-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.76
Rot. Bonds6

About 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde

5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde (PubChem CID 86667592) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde
PubChem CID86667592
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde
SMILESCOc1cc(OC)c(C=Cc2ccc(C=O)s2)c(OC)c1
InChIInChI=1S/C16H16O4S/c1-18-11-8-15(19-2)14(16(9-11)20-3)7-6-12-4-5-13(10-17)21-12/h4-10H,1-3H3
InChIKeyOMUARTWUDVRUGO-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[5-(2,4,6-trimethoxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carbaldehyde
CID 102455089
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
5-[(E)-3-methylbut-1-enyl]thiophene-2-carbaldehyde
CID 146324289
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
5-(3-amino-5-methoxyphenyl)thiophene-2-carbaldehyde
CID 165490086
(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
CID 51040851
(2-formyl-3,5-dimethoxyphenyl)boronic acid
CID 74890628
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
CID 101022784
CID 101022784
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 3410175

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde (CID 86667592) is 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde is COc1cc(OC)c(C=Cc2ccc(C=O)s2)c(OC)c1.
What is the InChIKey of 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde?
The InChIKey is OMUARTWUDVRUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c1-18-11-8-15(19-2)14(16(9-11)20-3)7-6-12-4-5-13(10-17)21-12/h4-10H,1-3H3.
What are the key properties of 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde?
5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde has a molecular weight of 304.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 86667592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).